8-Oxopseudopalmatine

Details

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Internal ID dd886b72-e2de-46ac-a46a-fb62583b4d2f
Taxonomy Organoheterocyclic compounds > Isoquinolines and derivatives > Isoquinolones and derivatives
IUPAC Name 2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
SMILES (Canonical) COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C4C3=O)OC)OC)OC
SMILES (Isomeric) COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C4C3=O)OC)OC)OC
InChI InChI=1S/C21H21NO5/c1-24-17-8-12-5-6-22-16(14(12)10-19(17)26-3)7-13-9-18(25-2)20(27-4)11-15(13)21(22)23/h7-11H,5-6H2,1-4H3
InChI Key RNYYLJRCLSSAOZ-UHFFFAOYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C21H21NO5
Molecular Weight 367.40 g/mol
Exact Mass 367.14197277 g/mol
Topological Polar Surface Area (TPSA) 57.20 Ų
XlogP 3.10

Synonyms

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NSC693145
2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-8-one
CHEMBL1407265
2,3,10,11-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one
AKOS040740216
NSC-693145
NCGC00160189-01
NCI60_033376
NCGC00160189-01!8-OXO-PSEUDOPALMATINE
8H-Dibenzo[a, 5,6-dihydro- 2,3,10,11-tetramethoxy-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 8-Oxopseudopalmatine

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL241 Q14432 Phosphodiesterase 3A 96.69% 92.94%
CHEMBL2581 P07339 Cathepsin D 94.10% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.77% 95.56%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 93.43% 92.38%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 92.66% 93.40%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.54% 96.09%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.30% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.18% 94.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.06% 86.33%
CHEMBL3192 Q9BY41 Histone deacetylase 8 86.85% 93.99%
CHEMBL2535 P11166 Glucose transporter 85.85% 98.75%
CHEMBL2056 P21728 Dopamine D1 receptor 85.55% 91.00%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 83.15% 90.95%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 82.20% 95.53%
CHEMBL230 P35354 Cyclooxygenase-2 81.88% 89.63%
CHEMBL4208 P20618 Proteasome component C5 80.87% 90.00%
CHEMBL5747 Q92793 CREB-binding protein 80.69% 95.12%
CHEMBL3746 P80365 11-beta-hydroxysteroid dehydrogenase 2 80.36% 94.78%
CHEMBL4835 P00338 L-lactate dehydrogenase A chain 80.24% 95.34%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Stephania suberosa

Cross-Links

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PubChem 392605
LOTUS LTS0071454
wikiData Q105241931